Geometry & MOs

Info

ID:	365601
PubChem CID:	127318212
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	-102.08
Dipole, Da:	4.42
IP(EA), eV:	-8.46(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(thian-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2C(=O)NCC3CCSCC3

DOS

IR

Vibrations